N-(cyclopropylmethyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline

C14H18N4 — CID 71974465

IUPACN-(cyclopropylmethyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline
SMILESc1ccc(N(CCn2cncn2)CC2CC2)cc1
InChIInChI=1S/C14H18N4/c1-2-4-14(5-3-1)17(10-13-6-7-13)8-9-18-12-15-11-16-18/h1-5,11-13H,6-10H2
InChIKeyQRXVDCQSNJXLDG-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.19
Rot. Bonds6

About N-(cyclopropylmethyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline

N-(cyclopropylmethyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline (PubChem CID 71974465) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline
PubChem CID71974465
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-(cyclopropylmethyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline
SMILESc1ccc(N(CCn2cncn2)CC2CC2)cc1
InChIInChI=1S/C14H18N4/c1-2-4-14(5-3-1)17(10-13-6-7-13)8-9-18-12-15-11-16-18/h1-5,11-13H,6-10H2
InChIKeyQRXVDCQSNJXLDG-UHFFFAOYSA-N
XLogP2.19
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline (CID 71974465) is N-(cyclopropylmethyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline is c1ccc(N(CCn2cncn2)CC2CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline?
The InChIKey is QRXVDCQSNJXLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-4-14(5-3-1)17(10-13-6-7-13)8-9-18-12-15-11-16-18/h1-5,11-13H,6-10H2.
What are the key properties of N-(cyclopropylmethyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline?
N-(cyclopropylmethyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline has a molecular weight of 242.33 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline is sourced from PubChem (CID 71974465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).